2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride

C18H27ClN2O — CID 90204692

IUPAC2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
SMILESCCC1(NCC(=O)N2CCCCC2)CC1c1ccccc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-18(13-16(18)15-9-5-3-6-10-15)19-14-17(21)20-11-7-4-8-12-20;/h3,5-6,9-10,16,19H,2,4,7-8,11-14H2,1H3;1H
InChIKeyADKGZLVZYZOFJC-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.35
Rot. Bonds5

About 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride

2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 90204692) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
PubChem CID90204692
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
SMILESCCC1(NCC(=O)N2CCCCC2)CC1c1ccccc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-18(13-16(18)15-9-5-3-6-10-15)19-14-17(21)20-11-7-4-8-12-20;/h3,5-6,9-10,16,19H,2,4,7-8,11-14H2,1H3;1H
InChIKeyADKGZLVZYZOFJC-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 90197726
1-(4-methylpiperazin-1-yl)-2-[[(1S,2S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204198
1-(4-methylpiperazin-1-yl)-2-[[1-(naphthalen-2-ylmethyl)-2-phenylcyclopropyl]amino]ethanone
CID 90204196
2-[(1,2-diphenylcyclopropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 118483694
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate
CID 118483873
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone
CID 90197363
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride (CID 90204692) is 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride is CCC1(NCC(=O)N2CCCCC2)CC1c1ccccc1.Cl.
What is the InChIKey of 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is ADKGZLVZYZOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-2-18(13-16(18)15-9-5-3-6-10-15)19-14-17(21)20-11-7-4-8-12-20;/h3,5-6,9-10,16,19H,2,4,7-8,11-14H2,1H3;1H.
What are the key properties of 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride?
2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 90204692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).